hexadecyl 4-hexadecylsulfanyl-2-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: hexadecyl 4-hexadecylsulfanyl-2-oxidanyl-4-oxidanylidene-butanoate Openeye Name: hexadecyl 4-hexadecylsulfanyl-2-hydroxy-4-oxo-butanoate CAS Name: 4-(hexadecylthio)-2-hydroxy-4-oxobutanoic acid hexadecyl ester IUPAC Name: hexadecyl 4-hexadecylsulfanyl-2-hydroxy-4-oxobutanoate Traditional Name: 4-(cetylthio)-2-hydroxy-4-keto-butyric acid cetyl ester Formula: C36H70O4S MolecularWeight: 599.0036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)SCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)SCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C36H70O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40-36(39)34(37)33-35(38)41-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3